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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'hampton' and Initial = 'mb'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50203072
PNG
(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
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n/an/a 250n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073651
PNG
(CHEMBL3409229)
Show SMILES NS(=O)(=O)c1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H8N2O2S2/c9-14(11,12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H2,9,11,12)
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n/an/a 500n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50240520
PNG
((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Show SMILES S=C=NCc1ccccc1
Show InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
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n/an/a 530n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50240520
PNG
((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Show SMILES S=C=NCc1ccccc1
Show InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
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n/an/a 540n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073664
PNG
(CHEMBL3409226)
Show SMILES Fc1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
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n/an/a 540n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073650
PNG
(CHEMBL81201)
Show SMILES COc1ccc(CN=C=S)cc1
Show InChI InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073651
PNG
(CHEMBL3409229)
Show SMILES NS(=O)(=O)c1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H8N2O2S2/c9-14(11,12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H2,9,11,12)
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n/an/a 750n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073653
PNG
(1-PHENYLETHYL ISOTHIOCYANATE)
Show SMILES CC(N=C=S)c1ccccc1
Show InChI InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073733
PNG
((R)-(1-Isothiocyanatoethyl)Benzene | CHEMBL2151314)
Show SMILES C[C@@H](N=C=S)c1ccccc1 |r|
Show InChI InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073661
PNG
(CHEMBL3409223)
Show SMILES Clc1ccc(CCN=C=S)cc1
Show InChI InChI=1S/C9H8ClNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50203072
PNG
(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073730
PNG
(CHEMBL3409411)
Show SMILES CCC(N=C=S)c1ccc(OC)cc1
Show InChI InChI=1S/C11H13NOS/c1-3-11(12-8-14)9-4-6-10(13-2)7-5-9/h4-7,11H,3H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073657
PNG
(CHEMBL3409218)
Show SMILES Oc1ccc(CCN=C=S)cc1
Show InChI InChI=1S/C9H9NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,11H,5-6H2
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University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073716
PNG
((3-Isothiocyanatopropyl)Benzene | CHEMBL54380)
Show SMILES S=C=NCCCc1ccccc1
Show InChI InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073663
PNG
(CHEMBL3409227)
Show SMILES Fc1cccc(CN=C=S)c1
Show InChI InChI=1S/C8H6FNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50240850
PNG
((2-Isothiocyanato-ethyl)-benzene | CHEMBL151649 | ...)
Show SMILES S=C=NCCc1ccccc1
Show InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073661
PNG
(CHEMBL3409223)
Show SMILES Clc1ccc(CCN=C=S)cc1
Show InChI InChI=1S/C9H8ClNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073715
PNG
(CHEMBL3409413)
Show SMILES COc1ccccc1OCCN=C=S
Show InChI InChI=1S/C10H11NO2S/c1-12-9-4-2-3-5-10(9)13-7-6-11-8-14/h2-5H,6-7H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073714
PNG
(Phenylbutyl Isothiocyanate | US9963444, Example 1)
Show SMILES S=C=NCCCCc1ccccc1
Show InChI InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073654
PNG
(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Show SMILES C[S+]([O-])CCCCN=C=S
Show InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073653
PNG
(1-PHENYLETHYL ISOTHIOCYANATE)
Show SMILES CC(N=C=S)c1ccccc1
Show InChI InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073652
PNG
(CHEMBL3409230)
Show SMILES S=C=NCc1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO2S/c13-5-10-4-7-1-2-8-9(3-7)12-6-11-8/h1-3H,4,6H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073657
PNG
(CHEMBL3409218)
Show SMILES Oc1ccc(CCN=C=S)cc1
Show InChI InChI=1S/C9H9NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,11H,5-6H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073650
PNG
(CHEMBL81201)
Show SMILES COc1ccc(CN=C=S)cc1
Show InChI InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073659
PNG
(CHEMBL3409220)
Show SMILES Oc1ccc(CCN=C=S)cc1O
Show InChI InChI=1S/C9H9NO2S/c11-8-2-1-7(5-9(8)12)3-4-10-6-13/h1-2,5,11-12H,3-4H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073713
PNG
((6-Isothiocyanatohexyl)Benzene | PHENYLHEXYL ISOTH...)
Show SMILES S=C=NCCCCCCc1ccccc1
Show InChI InChI=1S/C13H17NS/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073662
PNG
(CHEMBL3409224)
Show SMILES CC(CN=C=S)c1ccc(O)cc1
Show InChI InChI=1S/C10H11NOS/c1-8(6-11-7-13)9-2-4-10(12)5-3-9/h2-5,8,12H,6H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073652
PNG
(CHEMBL3409230)
Show SMILES S=C=NCc1ccc2OCOc2c1
Show InChI InChI=1S/C9H7NO2S/c13-5-10-4-7-1-2-8-9(3-7)12-6-11-8/h1-3H,4,6H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073712
PNG
(CHEMBL572728)
Show SMILES OCCCCCCN=C=S
Show InChI InChI=1S/C7H13NOS/c9-6-4-2-1-3-5-8-7-10/h9H,1-6H2
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073734
PNG
(CHEMBL3409228)
Show SMILES FC(F)(F)c1cccc(CN=C=S)c1
Show InChI InChI=1S/C9H6F3NS/c10-9(11,12)8-3-1-2-7(4-8)5-13-6-14/h1-4H,5H2
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073655
PNG
(CHEMBL3409217)
Show SMILES COC(=O)[C@@H]1CC(=NO1)c1ccc(O)cc1 |r,c:6|
Show InChI InChI=1S/C11H11NO4/c1-15-11(14)10-6-9(12-16-10)7-2-4-8(13)5-3-7/h2-5,10,13H,6H2,1H3/t10-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli BL21(DE3) using L-dopachrom...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073660
PNG
(CHEMBL3409221)
Show SMILES FC(F)(F)c1ccc(CCN=C=S)cc1
Show InChI InChI=1S/C10H8F3NS/c11-10(12,13)9-3-1-8(2-4-9)5-6-14-7-15/h1-4H,5-6H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073658
PNG
(CHEMBL3409219)
Show SMILES Oc1cccc(CCN=C=S)c1
Show InChI InChI=1S/C9H9NOS/c11-9-3-1-2-8(6-9)4-5-10-7-12/h1-3,6,11H,4-5H2
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073664
PNG
(CHEMBL3409226)
Show SMILES Fc1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073736
PNG
(CHEMBL3409222)
Show SMILES FC(F)(F)c1cccc(CCN=C=S)c1
Show InChI InChI=1S/C10H8F3NS/c11-10(12,13)9-3-1-2-8(6-9)4-5-14-7-15/h1-3,6H,4-5H2
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073665
PNG
(CHEBI:85103 | Isothiocyanato-Benzene | Isothiocyan...)
Show SMILES S=C=Nc1ccccc1
Show InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073663
PNG
(CHEMBL3409227)
Show SMILES Fc1cccc(CN=C=S)c1
Show InChI InChI=1S/C8H6FNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073654
PNG
(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Show SMILES C[S+]([O-])CCCCN=C=S
Show InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073655
PNG
(CHEMBL3409217)
Show SMILES COC(=O)[C@@H]1CC(=NO1)c1ccc(O)cc1 |r,c:6|
Show InChI InChI=1S/C11H11NO4/c1-15-11(14)10-6-9(12-16-10)7-2-4-8(13)5-3-7/h2-5,10,13H,6H2,1H3/t10-/m0/s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50240850
PNG
((2-Isothiocyanato-ethyl)-benzene | CHEMBL151649 | ...)
Show SMILES S=C=NCCc1ccccc1
Show InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073732
PNG
(CHEMBL3409409)
Show SMILES CCC(N=C=S)c1ccccc1
Show InChI InChI=1S/C10H11NS/c1-2-10(11-8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073662
PNG
(CHEMBL3409224)
Show SMILES CC(CN=C=S)c1ccc(O)cc1
Show InChI InChI=1S/C10H11NOS/c1-8(6-11-7-13)9-2-4-10(12)5-3-9/h2-5,8,12H,6H2,1H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073659
PNG
(CHEMBL3409220)
Show SMILES Oc1ccc(CCN=C=S)cc1O
Show InChI InChI=1S/C9H9NO2S/c11-8-2-1-7(5-9(8)12)3-4-10-6-13/h1-2,5,11-12H,3-4H2
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073664
PNG
(CHEMBL3409226)
Show SMILES Fc1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073660
PNG
(CHEMBL3409221)
Show SMILES FC(F)(F)c1ccc(CCN=C=S)cc1
Show InChI InChI=1S/C10H8F3NS/c11-10(12,13)9-3-1-8(2-4-9)5-6-14-7-15/h1-4H,5-6H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073663
PNG
(CHEMBL3409227)
Show SMILES Fc1cccc(CN=C=S)c1
Show InChI InChI=1S/C8H6FNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
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n/an/a 5.40E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073658
PNG
(CHEMBL3409219)
Show SMILES Oc1cccc(CCN=C=S)c1
Show InChI InChI=1S/C9H9NOS/c11-9-3-1-2-8(6-9)4-5-10-7-12/h1-3,6,11H,4-5H2
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PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073731
PNG
(CHEMBL3409410)
Show SMILES CCC(N=C=S)c1ccc(O)cc1
Show InChI InChI=1S/C10H11NOS/c1-2-10(11-7-13)8-3-5-9(12)6-4-8/h3-6,10,12H,2H2,1H3
PDB
MMDB

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073656
PNG
(CHEBI:60067 | PHENETHYL ISOCYANATE)
Show SMILES O=C=NCCc1ccccc1
Show InChI InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50073717
PNG
(CHEMBL3409412)
Show SMILES S=C=NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Otago

Curated by ChEMBL


Assay Description
Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...


Eur J Med Chem 93: 501-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.012
BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
More data for this
Ligand-Target Pair
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